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(2S,3R,4R)-4-Hydroxy-3-nitro-4,6-diphenyl-2-thiophen-2-yl-cyclohexane-1,1-dicarbonitrile
SpectraBase Compound ID 4FYLNkDwJQM
InChI InChI=1S/C24H19N3O3S/c25-15-23(16-26)19(17-8-3-1-4-9-17)14-24(28,18-10-5-2-6-11-18)22(27(29)30)21(23)20-12-7-13-31-20/h1-13,19,21-22,28H,14H2/t19?,21-,22-,24-/m1/s1
InChIKey VFMPDEDIGNGVOL-TWCSLKCUSA-N
Mol Weight 429.49 g/mol
Molecular Formula C24H19N3O3S
Exact Mass 429.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0nHU9Jqig4
Name (2S,3R,4R)-4-Hydroxy-3-nitro-4,6-diphenyl-2-thiophen-2-yl-cyclohexane-1,1-dicarbonitrile
Alternate Name(s) 4-Hydroxy-3-nitro-4,6-diphenyl-2-(2-thienyl)cyclohexane-1,1-dicarbonitrile (2S,3R,4R)-4-hydroxy-3-nitro-4,6-diphenyl-2-(thiophen-2-yl)cyclohexane-1,1-dicarbonitrile
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Formula C24H19N3O3S
InChI InChI=1S/C24H19N3O3S/c25-15-23(16-26)19(17-8-3-1-4-9-17)14-24(28,18-10-5-2-6-11-18)22(27(29)30)21(23)20-12-7-13-31-20/h1-13,19,21-22,28H,14H2/t19?,21-,22-,24-/m1/s1
InChIKey VFMPDEDIGNGVOL-TWCSLKCUSA-N
Molecular Weight 429.494 g/mol
SMILES O[C@@]1([C@@]([C@](C(C#N)(C#N)C(C1)c1ccccc1)(c1sccc1)[H])(N(=O)=O)[H])c1ccccc1
SPLASH splash10-0a4i-1900000000-6a204796f467cb868e9c
Source of Spectrum F4-45-386-3f
Wiley ID 1737000